Information card for entry 2215470

Structure parameters

• Chemical name: 4-hydroxy-3-(1-methylethylidene)-6,7,8,8a-tetrahydro-1-oxaacenaphthylen-2-one
• Formula: C14 H14 O3
• Calculated formula: C14 H14 O3
• SMILES: Oc1cc2c3c(c1)C(=O)O[C@H]3[C@@H](CC2)C(=C)C
• Title of publication: 2-Hydroxyplatyphyllid
• Authors of publication: Wang, Qi; Chen, Dao-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4018 - o4018
• a: 7.678 ± 0.004 Å
• b: 8.063 ± 0.004 Å
• c: 19.58 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1212.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes